ChemFOnt: Showing chemical card for Tromethamine (CFc000220551)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 01:39:43 UTC

Chemfont ID

CFc000220551

Molecule Identification

Common Name

Tromethamine

Definition

Tromethamine, also known as trometamol or tham, belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom. Tromethamine is a drug which is used for the prevention and correction of metabolic acidosis. Tromethamine exists as a solid, soluble (in water), and a very weakly acidic compound (based on its pKa). Tromethamine is also a parent compound for other transformation products, including but not limited to, bis-tris, bis-tris propane, and N-tris(hydroxymethyl)methylglycine.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1,1,1-Tris(hydroxymethyl)methanamine	ChEBI
2-Amino-2-(hydroxymethyl)-1,3-propanediol	ChEBI
Aminotris(hydroxymethyl)methane	ChEBI
THAM	ChEBI
Tris amino	ChEBI
Tris base	ChEBI
Tris buffer	ChEBI
Tris(hydroxymethyl)aminomethane	ChEBI
Tris-base	ChEBI
Trizma	ChEBI
Trometamol	ChEBI
Abbott brand OF trometamol	HMDB
Tris-MG(II)-KCL buffer	HMDB
Trisamine	HMDB
Trometamol abbott brand	HMDB
Tri(hydroxymethyl)aminomethane	HMDB
Tris-magnesium(II)-potassium chloride buffer	HMDB
Tromethamine	ChEBI

Chemical Formula

C₄H₁₁NO₃

Average Molecular Weight

121.135

Monoisotopic Molecular Weight

121.073893223

IUPAC Name

2-amino-2-(hydroxymethyl)propane-1,3-diol

Traditional Name

tris buffer

CAS Registry Number

77-86-1

SMILES

NC(CO)(CO)CO

InChI Identifier

InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2

InChI Key

LENZDBCJOHFCAS-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Amines

Direct Parent

1,2-aminoalcohols

Alternative Parents

Substituents

1,2-aminoalcohol
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Primary amine
Primary alcohol
Organooxygen compound
Primary aliphatic amine
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

primary amino compound (CHEBI:9754 )
triol (CHEBI:9754 )
a small molecule (TRIS )

Functional Ontology

Not Available

Placenta (HMDB: HMDB0240288)

Source

Exogenous

Exogenous (HMDB: HMDB0240288)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	695 g/L	ALOGPS
logP	-2.1	ALOGPS
logP	-2.7	ChemAxon
logS	0.76	ALOGPS
pKa (Strongest Acidic)	14.16	ChemAxon
pKa (Strongest Basic)	8.95	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	86.71 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	28.36 m³·mol⁻¹	ChemAxon
Polarizability	12.02 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon